ChemSpider 2D Image | Cinobufotalin | C26H34O7

Cinobufotalin

  • Molecular FormulaC26H34O7
  • Average mass458.544 Da
  • Monoisotopic mass458.230438 Da
  • ChemSpider ID32820640

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,5β,14α,15β,16β)-16-Acetoxy-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolid [German] [ACD/IUPAC Name]
(3β,5β,14α,15β,16β)-16-Acetoxy-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide [ACD/IUPAC Name]
(3β,5β,14α,15β,16β)-16-Acétoxy-3,5-dihydroxy-14,15-époxybufa-20,22-diénolide [French] [ACD/IUPAC Name]
1108-68-5 [RN]
Bufa-20,22-dienolide, 16-(acetyloxy)-14,15-epoxy-3,5-dihydroxy-, (3β,5β,14α,15β,16β)- [ACD/Index Name]
Cinobufotalin
MFCD00055946

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 627.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.4±6.0 kJ/mol
Flash Point: 210.7±25.0 °C
Index of Refraction: 1.612
Molar Refractivity: 118.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.79
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.33
ACD/KOC (pH 5.5): 197.84
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.33
ACD/KOC (pH 7.4): 197.84
Polar Surface Area: 106 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 340.2±5.0 cm3

Click to predict properties on the Chemicalize site


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